1-[2-(furan-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea

C15H18N2O3 — CID 90558552

IUPAC1-[2-(furan-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NCCc2ccoc2)cc1
InChIInChI=1S/C15H18N2O3/c1-19-14-4-2-12(3-5-14)10-17-15(18)16-8-6-13-7-9-20-11-13/h2-5,7,9,11H,6,8,10H2,1H3,(H2,16,17,18)
InChIKeyBRKIQFUROKLGIS-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.33
Rot. Bonds6

About 1-[2-(furan-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea

1-[2-(furan-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea (PubChem CID 90558552) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[2-(furan-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(furan-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
PubChem CID90558552
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-[2-(furan-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NCCc2ccoc2)cc1
InChIInChI=1S/C15H18N2O3/c1-19-14-4-2-12(3-5-14)10-17-15(18)16-8-6-13-7-9-20-11-13/h2-5,7,9,11H,6,8,10H2,1H3,(H2,16,17,18)
InChIKeyBRKIQFUROKLGIS-UHFFFAOYSA-N
XLogP2.33
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(furan-3-yl)ethyl]-N'-[(4-methoxyphenyl)methyl]oxamide
CID 90558497
1-[2-(furan-3-yl)ethyl]-3-(2-methoxyethyl)urea
CID 71798548
1-[(4-methoxyphenyl)methyl]-3-propylurea
CID 41355184
1-[2-(4-methoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 51290894
1-[2-(dimethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868221
1-(3-butoxypropyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868142
N-[2-(furan-3-yl)ethyl]-2-methoxyacetamide
CID 90558235
1-[2-(4-methoxyphenyl)ethyl]-3-octadecylurea
CID 139817703
1-[(3-bromophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108898814
1-[(3-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108898465
1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868181
methyl 5-[(4-methoxyphenyl)methylcarbamoylamino]pentanoate
CID 60591566

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[2-(furan-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea (CID 90558552) is 1-[2-(furan-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[2-(furan-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[2-(furan-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea is COc1ccc(CNC(=O)NCCc2ccoc2)cc1.
What is the InChIKey of 1-[2-(furan-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea?
The InChIKey is BRKIQFUROKLGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-19-14-4-2-12(3-5-14)10-17-15(18)16-8-6-13-7-9-20-11-13/h2-5,7,9,11H,6,8,10H2,1H3,(H2,16,17,18).
What are the key properties of 1-[2-(furan-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea?
1-[2-(furan-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea has a molecular weight of 274.32 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 90558552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).